Geometry & MOs

Info

ID:	14295
PubChem CID:	408341
Reduced:	NO3H21C27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	407.152144
ΔH_f, kcal/mol:	6.75
Dipole, Da:	4.48
IP(EA), eV:	-8.22(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-dimethyl-2H-pyridin-1-yl)-6-hydroxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),5,9,11,13,15,17,19-octaene-3,4-dione

Drug info:

PubChemData

Smile

CC1C=C(C=CN1C2=C(C3=C(C4C5=CC=CC=C5C3C6=CC=CC=C46)C(=O)C2=O)O)C

DOS

IR

Vibrations